N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine

C9H20N2S — CID 43296813

IUPACN'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine
SMILESCN(CCCCN)C1CCSC1
InChIInChI=1S/C9H20N2S/c1-11(6-3-2-5-10)9-4-7-12-8-9/h9H,2-8,10H2,1H3
InChIKeyNIVVERWADNOAHY-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.16
Rot. Bonds5

About N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine

N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine (PubChem CID 43296813) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine
PubChem CID43296813
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine
SMILESCN(CCCCN)C1CCSC1
InChIInChI=1S/C9H20N2S/c1-11(6-3-2-5-10)9-4-7-12-8-9/h9H,2-8,10H2,1H3
InChIKeyNIVVERWADNOAHY-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-3-N-methyl-3-N-(thiolan-3-yl)butane-1,3-diamine
CID 43753139
1,1,1-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)pentane-2,3-diamine
CID 61647857
N-(3-fluoropropyl)-5-methylthiolan-3-amine
CID 130503804
N-butylthiolan-3-amine
CID 20436219
N-propylthiolan-3-amine
CID 21709926
N,N-di(propan-2-yl)thiolan-3-amine
CID 22975545
3-[3-(Dimethylamino)propylsulfanyl]propan-1-amine
CID 23422479
N-ethylthiolan-3-amine
CID 24700762
N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 28658265
N-Isopropyltetrahydrothiophen-3-amine
CID 43177202
N-butan-2-ylthiolan-3-amine
CID 43177308
N-(2-methylpropyl)thiolan-3-amine
CID 43177338

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine?
The IUPAC name of N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine (CID 43296813) is N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine is CN(CCCCN)C1CCSC1.
What is the InChIKey of N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine?
The InChIKey is NIVVERWADNOAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-11(6-3-2-5-10)9-4-7-12-8-9/h9H,2-8,10H2,1H3.
What are the key properties of N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine?
N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine has a molecular weight of 188.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine is sourced from PubChem (CID 43296813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).